General Information of the Compound
Compound ID
CP0374734
Compound Name
N-[6-[[6-methoxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide
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Structure
Formula
C29H37N3O3S
Molecular Weight
507.7
Canonical SMILES
COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCCCCCCNS(=O)(=O)c1ccccc1
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InChI
InChI=1S/C29H37N3O3S/c1-35-25-14-15-27-24(21-25)13-16-29(28(27)20-23-10-9-17-30-22-23)31-18-7-2-3-8-19-32-36(33,34)26-11-5-4-6-12-26/h4-6,9-12,14-15,17,21-22,28-29,31-32H,2-3,7-8,13,16,18-20H2,1H3
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InChIKey
BBBHXYBEATZCHO-UHFFFAOYSA-N
Physicochemical Property
logP
4.8598
Rotatable Bonds
13
Heavy Atom Count
36
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44344283
ChEMBL ID
CHEMBL118931
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 53 nM
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